Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Room-temperature X-ray fragment screening with serial crystallography.
Journal, issue, pages	Nat Commun, Vol. 16, Page 9089-9089, Year 2025
Publish date	Jul 10, 2024 (structure data deposition date)
Authors	Gunther, S. / Fischer, P. / Galchenkova, M. / Falke, S. / Reinke, P.Y.A. / Thekku Veedu, S. / Rodrigues, A.C. / Senst, J. / Elinjikkal, D. / Gumprecht, L. ...Gunther, S. / Fischer, P. / Galchenkova, M. / Falke, S. / Reinke, P.Y.A. / Thekku Veedu, S. / Rodrigues, A.C. / Senst, J. / Elinjikkal, D. / Gumprecht, L. / Meyer, J. / Chapman, H.N. / Barthelmess, M. / Meents, A.
External links	Nat Commun / PubMed:41083451
Methods	X-ray diffraction
Resolution	1.1 - 1.5 Å
Structure data	PDB-9g1a: Fragment screening of FosAKP, room-temperature structure, ground state Method: X-RAY DIFFRACTION / Resolution: 1.3 Å PDB-9g1b: Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry A09 Method: X-RAY DIFFRACTION / Resolution: 1.3 Å PDB-9g1c: Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry A12 Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-9g1d: Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry E04 Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-9g1e: Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry E07 Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-9g1f: Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry E12 Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-9g1g: Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry G08 Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-9g1h: Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry H01 Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-9g1i: Fragment screening of FosAKP, cryo structure, ground state Method: X-RAY DIFFRACTION / Resolution: 1.1 Å PDB-9g1j: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry A06 Method: X-RAY DIFFRACTION / Resolution: 1.28 Å PDB-9g1k: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry A09 Method: X-RAY DIFFRACTION / Resolution: 1.14 Å PDB-9g1l: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry A12 Method: X-RAY DIFFRACTION / Resolution: 1.27 Å PDB-9g1m: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry B02 Method: X-RAY DIFFRACTION / Resolution: 1.18 Å PDB-9g1n: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E04 Method: X-RAY DIFFRACTION / Resolution: 1.2 Å PDB-9g1o: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E07 Method: X-RAY DIFFRACTION / Resolution: 1.14 Å PDB-9g1p: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E12 Method: X-RAY DIFFRACTION / Resolution: 1.14 Å PDB-9g1q: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry G08 Method: X-RAY DIFFRACTION / Resolution: 1.11 Å PDB-9g1r: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry G12 Method: X-RAY DIFFRACTION / Resolution: 1.24 Å PDB-9g1s: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry H01 Method: X-RAY DIFFRACTION / Resolution: 1.12 Å PDB-9rpx: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry B06 Method: X-RAY DIFFRACTION / Resolution: 1.27 Å PDB-9rpy: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry B07 Method: X-RAY DIFFRACTION / Resolution: 1.16 Å PDB-9rpz: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry B10 Method: X-RAY DIFFRACTION / Resolution: 1.11 Å PDB-9rq0: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry C06 Method: X-RAY DIFFRACTION / Resolution: 1.22 Å PDB-9rq1: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry C08 Method: X-RAY DIFFRACTION / Resolution: 1.13 Å PDB-9rq2: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry C09 Method: X-RAY DIFFRACTION / Resolution: 1.16 Å PDB-9rq3: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry C10 Method: X-RAY DIFFRACTION / Resolution: 1.22 Å PDB-9rq4: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry D06 Method: X-RAY DIFFRACTION / Resolution: 1.18 Å PDB-9rq5: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry D07 Method: X-RAY DIFFRACTION / Resolution: 1.12 Å PDB-9rq6: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E09 Method: X-RAY DIFFRACTION / Resolution: 1.12 Å PDB-9rq7: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry F02 Method: X-RAY DIFFRACTION / Resolution: 1.18 Å PDB-9rq8: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry F04 Method: X-RAY DIFFRACTION / Resolution: 1.16 Å PDB-9rq9: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry F08 Method: X-RAY DIFFRACTION / Resolution: 1.15 Å PDB-9rqa: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry F09 Method: X-RAY DIFFRACTION / Resolution: 1.16 Å PDB-9rqb: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry F10 Method: X-RAY DIFFRACTION / Resolution: 1.27 Å PDB-9rqc: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry G02 Method: X-RAY DIFFRACTION / Resolution: 1.15 Å PDB-9rqd: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry G03 Method: X-RAY DIFFRACTION / Resolution: 1.17 Å PDB-9rqe: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry G11 Method: X-RAY DIFFRACTION / Resolution: 1.16 Å PDB-9rqf: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry H06 Method: X-RAY DIFFRACTION / Resolution: 1.13 Å PDB-9rqg: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry H07 Method: X-RAY DIFFRACTION / Resolution: 1.16 Å PDB-9rqh: Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry H12 Method: X-RAY DIFFRACTION / Resolution: 1.15 Å PDB-9s5b: Fragment screening of FosAKP, room-temperature structure, ground state, small unit cell Method: X-RAY DIFFRACTION / Resolution: 1.5 Å
Chemicals	ChemComp-MN: Unknown entry ChemComp-HOH: WATER PDB-1ihz: Structure of S. nuclease mutant quintuple mutant V23L/V66L/I72L/I92L/V99L ChemComp-EDO: 1,2-ETHANEDIOL ChemComp-TJ1: 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one ChemComp, No image ChemComp-VNV: Unknown entry ChemComp-R9Y: 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine ChemComp-SYV: 6-azanyl-3-methyl-1,3-benzoxazol-2-one ChemComp-RDJ: N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide ChemComp, No image ChemComp-VOB: Unknown entry PDB-1ihx: Crystal structure of two D-glyceraldehyde-3-phosphate dehydrogenase complexes: a case of asymmetry ChemComp-2CK: 1,2,3,4-tetrahydroisoquinoline ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, precipitantYM ChemComp-SZ7: ~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide ChemComp-R8P: (1S)-1-(4-nitrophenyl)ethan-1-ol ChemComp, No image ChemComp-UIS: Unknown entry ChemComp-PBC: PHENYL BORONIC ACID PDB-1i4v: SOLUTION STRUCTURE OF THE UMUD' HOMODIMER ChemComp-R8V: (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one PDB-1jh9: PURINE REPRESSOR MUTANT-HYPOXANTHINE-PURF OPERATOR COMPLEX ChemComp-TJV: 1,3-benzodioxole-5-carbothioamide ChemComp-R9G: (3-methoxyphenyl)(pyrrolidin-1-yl)methanone ChemComp-SYJ: 2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide ChemComp-BR: BROMIDE ION PDB-1jh8: Structural Investigation of the Biosynthesis of Alternative Lower Ligands for Cobamides by Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase (CobT) from Salmonella enterica ChemComp-T9Y: ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate ChemComp-RB7: N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine ChemComp-RBJ: 4-[(methylamino)methyl]phenol ChemComp, No image ChemComp-UI4: Unknown entry PDB-1jh7: Semi-reduced Inhibitor-bound Cyclic Nucleotide Phosphodiesterase from Arabidopsis thaliana ChemComp-RCV: methyl [3-(aminomethyl)phenoxy]acetate ChemComp-RD4: 3-ethoxybenzene-1-carboximidamide ChemComp, No image ChemComp-UI7: Unknown entry ChemComp, No image ChemComp-UID: Unknown entry ChemComp, No image ChemComp-U8X: Unknown entry ChemComp-SZA*: ~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
Source	klebsiella pneumoniae (bacteria)
Keywords	TRANSFERASE / antibiotic resistance / fosfomycin / fragment screening